5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide

C10H9ClN4O2 — CID 669777

IUPAC5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1cnnc1
InChIInChI=1S/C10H9ClN4O2/c1-17-9-3-2-7(11)4-8(9)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyWGNBUFAXGPUUBS-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.32
Rot. Bonds3

About 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide

5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 669777) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID669777
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1cnnc1
InChIInChI=1S/C10H9ClN4O2/c1-17-9-3-2-7(11)4-8(9)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyWGNBUFAXGPUUBS-UHFFFAOYSA-N
XLogP1.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 4779955
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
2,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 936109
Stk182061
CID 912328
5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 2565135
4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814682
4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481033
5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481047
5-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxybenzamide
CID 45824163
(5-Chloro-2-propoxyphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72104591

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 669777) is 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nn1cnnc1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WGNBUFAXGPUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-9-3-2-7(11)4-8(9)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16).
What are the key properties of 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 252.66 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 669777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).